3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine

C17H15BrClN3O — CID 164934740

IUPAC3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
SMILESCOc1ccc(CN(C)c2cc3nc(Cl)c(Br)cc3cn2)cc1
InChIInChI=1S/C17H15BrClN3O/c1-22(10-11-3-5-13(23-2)6-4-11)16-8-15-12(9-20-16)7-14(18)17(19)21-15/h3-9H,10H2,1-2H3
InChIKeyDVJPWRNNEZNNSJ-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.69
Rot. Bonds4

About 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine

3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine (PubChem CID 164934740) has the molecular formula C17H15BrClN3O and a molecular weight of 392.68 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
PubChem CID164934740
Molecular FormulaC17H15BrClN3O
Molecular Weight392.68 g/mol
Exact Mass391.01
IUPAC Name3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
SMILESCOc1ccc(CN(C)c2cc3nc(Cl)c(Br)cc3cn2)cc1
InChIInChI=1S/C17H15BrClN3O/c1-22(10-11-3-5-13(23-2)6-4-11)16-8-15-12(9-20-16)7-14(18)17(19)21-15/h3-9H,10H2,1-2H3
InChIKeyDVJPWRNNEZNNSJ-UHFFFAOYSA-N
XLogP4.69
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine
CID 167511897
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridin-7-amine
CID 167511620
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
4-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 139548865
6-bromo-7-fluoro-N,N-bis[(4-methoxyphenyl)methyl]isoquinolin-3-amine
CID 176695054
6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 66466186
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 133424069
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
2-chloro-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417716
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62294613

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine?
The IUPAC name of 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine (CID 164934740) is 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine.
What is the SMILES notation for 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine?
The canonical SMILES for 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine is COc1ccc(CN(C)c2cc3nc(Cl)c(Br)cc3cn2)cc1.
What is the InChIKey of 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine?
The InChIKey is DVJPWRNNEZNNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O/c1-22(10-11-3-5-13(23-2)6-4-11)16-8-15-12(9-20-16)7-14(18)17(19)21-15/h3-9H,10H2,1-2H3.
What are the key properties of 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine?
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine has a molecular weight of 392.68 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridin-7-amine is sourced from PubChem (CID 164934740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).